2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde

C23H18O2 — CID 72556924

IUPAC2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde
SMILESO=Cc1cccc2c1CCc1ccccc1C2=Cc1cccc(O)c1
InChIInChI=1S/C23H18O2/c24-15-18-7-4-10-22-21(18)12-11-17-6-1-2-9-20(17)23(22)14-16-5-3-8-19(25)13-16/h1-10,13-15,25H,11-12H2
InChIKeyMWKAWLFQSBKGSY-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.89
Rot. Bonds2

About 2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde

2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde (PubChem CID 72556924) has the molecular formula C23H18O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde
PubChem CID72556924
Molecular FormulaC23H18O2
Molecular Weight326.40 g/mol
Exact Mass326.13
IUPAC Name2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde
SMILESO=Cc1cccc2c1CCc1ccccc1C2=Cc1cccc(O)c1
InChIInChI=1S/C23H18O2/c24-15-18-7-4-10-22-21(18)12-11-17-6-1-2-9-20(17)23(22)14-16-5-3-8-19(25)13-16/h1-10,13-15,25H,11-12H2
InChIKeyMWKAWLFQSBKGSY-UHFFFAOYSA-N
XLogP4.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
CID 68942661
3-[(5-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
CID 68937227
3-[(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
CID 68935514
(4E)-4-[(3-hydroxyphenyl)methylidene]-1H-isochromen-3-one
CID 10890382
2-[[3-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59770023
(2Z)-2-[(3-chlorophenyl)methylidene]-7-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 58613380
2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 101437430
bicyclo[4.2.0]octa-1(6),2,4-triene-2-carbaldehyde
CID 10855492
2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 19855746
2-[(3-methylsulfanylphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59770332
2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol
CID 59770522
(2Z)-7-chloro-2-[(4-chloro-3-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 59770046

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde?
The IUPAC name of 2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde (CID 72556924) is 2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde?
The canonical SMILES for 2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde is O=Cc1cccc2c1CCc1ccccc1C2=Cc1cccc(O)c1.
What is the InChIKey of 2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde?
The InChIKey is MWKAWLFQSBKGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O2/c24-15-18-7-4-10-22-21(18)12-11-17-6-1-2-9-20(17)23(22)14-16-5-3-8-19(25)13-16/h1-10,13-15,25H,11-12H2.
What are the key properties of 2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde?
2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde has a molecular weight of 326.40 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-7-carbaldehyde is sourced from PubChem (CID 72556924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).