3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol

C14H18O2 — CID 107383454

IUPAC3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol
SMILESOc1cccc(CC2=CC(O)CCCC2)c1
InChIInChI=1S/C14H18O2/c15-13-6-2-1-4-11(9-13)8-12-5-3-7-14(16)10-12/h3,5,7,9-10,13,15-16H,1-2,4,6,8H2
InChIKeyJGRGDLQXKDRVBK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.80
Rot. Bonds2

About 3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol

3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol (PubChem CID 107383454) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol
PubChem CID107383454
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol
SMILESOc1cccc(CC2=CC(O)CCCC2)c1
InChIInChI=1S/C14H18O2/c15-13-6-2-1-4-11(9-13)8-12-5-3-7-14(16)10-12/h3,5,7,9-10,13,15-16H,1-2,4,6,8H2
InChIKeyJGRGDLQXKDRVBK-UHFFFAOYSA-N
XLogP2.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chloro-3-fluorophenyl)methyl]cyclohept-2-en-1-ol
CID 114013021
3-[[4-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-ol
CID 65177095
3-[(3-bromo-5-fluorophenyl)methyl]cyclohept-2-en-1-ol
CID 107383511
3-[(5-bromo-3-pyridinyl)methyl]cyclohept-2-en-1-ol
CID 107383492
3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol
CID 107383366
3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol
CID 65172216
3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 65176934
3-[(1-methylpyrazol-3-yl)methyl]cyclohept-2-en-1-ol
CID 107383609
3-[(4-amino-3-pyridinyl)methyl]cyclohept-2-en-1-ol
CID 107383393
(1R)-3-ethylcyclohex-2-en-1-ol
CID 11252010
3-[(cyclobutylamino)methyl]phenol
CID 62416890
3-[(5-chlorothiophen-2-yl)methyl]cyclohex-2-en-1-ol
CID 65176939

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol?
The IUPAC name of 3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol (CID 107383454) is 3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol?
The canonical SMILES for 3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol is Oc1cccc(CC2=CC(O)CCCC2)c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol?
The InChIKey is JGRGDLQXKDRVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-13-6-2-1-4-11(9-13)8-12-5-3-7-14(16)10-12/h3,5,7,9-10,13,15-16H,1-2,4,6,8H2.
What are the key properties of 3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol?
3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol has a molecular weight of 218.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methyl]cyclohept-2-en-1-ol is sourced from PubChem (CID 107383454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).