2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde

C22H22O — CID 163825554

IUPAC2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde
SMILESO=CC12CC1CCC=C2C1Cc2ccccc2C2=C1CCC=C2
InChIInChI=1S/C22H22O/c23-14-22-13-16(22)7-5-11-21(22)20-12-15-6-1-2-8-17(15)18-9-3-4-10-19(18)20/h1-3,6,8-9,11,14,16,20H,4-5,7,10,12-13H2
InChIKeyNZDPOTMANSFCLX-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.89
Rot. Bonds2

About 2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde

2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde (PubChem CID 163825554) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde
PubChem CID163825554
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Name2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde
SMILESO=CC12CC1CCC=C2C1Cc2ccccc2C2=C1CCC=C2
InChIInChI=1S/C22H22O/c23-14-22-13-16(22)7-5-11-21(22)20-12-15-6-1-2-8-17(15)18-9-3-4-10-19(18)20/h1-3,6,8-9,11,14,16,20H,4-5,7,10,12-13H2
InChIKeyNZDPOTMANSFCLX-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-isocyanato-2,9-dihydro-1H-fluorene
CID 163957293
(2S,10aR)-2-bromo-3,9,10,10a-tetrahydro-1H-phenanthrene-2-carbaldehyde
CID 101493566
7,10-dimethyl-1,2,9,10-tetrahydrophenanthrene
CID 144613246
2,3,3a,4-tetrahydrocyclopenta[a]indene
CID 15439194
2,9-dihydro-1H-fluoren-9-amine;methane;propan-2-amine
CID 143038930
2,9-dihydro-1H-fluorene;oxolane
CID 175322963
2-(3H-inden-1-yl)-2,3-dihydroinden-1-one
CID 44721009
2-(1-bicyclo[2.2.1]hept-2-enyl)-3-cyclopentylidene-1,2-dihydroindene
CID 91251395
2,9-dihydro-1H-fluoren-9-ylmethyl (2,5-dioxopyrrolidin-1-yl) carbonate
CID 143777459
methyl (2S)-2-(2,9-dihydro-1H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 163499760
tetracyclo[10.4.0.02,6.06,10]hexadeca-1(16),2,12,14-tetraen-4-one
CID 102288105
benzene;1,1'-biphenyl;2,9-dihydro-1H-fluorene;1,2-dihydronaphthalene
CID 157412815

Frequently Asked Questions

What is the IUPAC name of 2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde?
The IUPAC name of 2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde (CID 163825554) is 2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde.
What is the SMILES notation for 2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde?
The canonical SMILES for 2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde is O=CC12CC1CCC=C2C1Cc2ccccc2C2=C1CCC=C2.
What is the InChIKey of 2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde?
The InChIKey is NZDPOTMANSFCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O/c23-14-22-13-16(22)7-5-11-21(22)20-12-15-6-1-2-8-17(15)18-9-3-4-10-19(18)20/h1-3,6,8-9,11,14,16,20H,4-5,7,10,12-13H2.
What are the key properties of 2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde?
2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde has a molecular weight of 302.42 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8,9,10-tetrahydrophenanthren-9-yl)bicyclo[4.1.0]hept-2-ene-1-carbaldehyde is sourced from PubChem (CID 163825554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).