6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C14H17ClO — CID 107900940

IUPAC6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1C/C=C/Cl
InChIInChI=1S/C14H17ClO/c15-10-4-8-12-7-3-6-11-5-1-2-9-13(11)14(12)16/h1-2,4-5,9-10,12,14,16H,3,6-8H2/b10-4+
InChIKeyIKWAVNJTUWRYAS-ONNFQVAWSA-N
MW236.74 g/mol
LogP3.82
Rot. Bonds2

About 6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 107900940) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is 6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID107900940
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESOC1c2ccccc2CCCC1C/C=C/Cl
InChIInChI=1S/C14H17ClO/c15-10-4-8-12-7-3-6-11-5-1-2-9-13(11)14(12)16/h1-2,4-5,9-10,12,14,16H,3,6-8H2/b10-4+
InChIKeyIKWAVNJTUWRYAS-ONNFQVAWSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol with MolForge

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Related Compounds

6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801
(1S,2S)-2-[(E)-but-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 101152494
6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 81114397
6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63461795
6-[2-(2-hydroxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79423614
6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63460880
6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63459606
6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65166206
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 107900940) is 6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is OC1c2ccccc2CCCC1C/C=C/Cl.
What is the InChIKey of 6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is IKWAVNJTUWRYAS-ONNFQVAWSA-N. The full InChI is InChI=1S/C14H17ClO/c15-10-4-8-12-7-3-6-11-5-1-2-9-13(11)14(12)16/h1-2,4-5,9-10,12,14,16H,3,6-8H2/b10-4+.
What are the key properties of 6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 236.74 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 107900940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).