3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol

C16H22O — CID 114194593

IUPAC3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol
SMILESOC1CCCCC(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H22O/c17-16-7-2-1-4-14(11-16)15-9-8-12-5-3-6-13(12)10-15/h8-10,14,16-17H,1-7,11H2
InChIKeyLQVIVWSTPBMQMC-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.58
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol

3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol (PubChem CID 114194593) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol
PubChem CID114194593
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol
SMILESOC1CCCCC(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C16H22O/c17-16-7-2-1-4-14(11-16)15-9-8-12-5-3-6-13(12)10-15/h8-10,14,16-17H,1-7,11H2
InChIKeyLQVIVWSTPBMQMC-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl]methanol
CID 144689190
trans-(1R,3R)-3-phenylcycloheptan-1-ol
CID 95376716
3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol
CID 64514395
3-(4-cyclobutylphenyl)cyclopentan-1-ol
CID 116506811
3-quinolin-7-ylcycloheptan-1-ol
CID 81221392
N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobutan-1-amine
CID 156864691
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
CID 64516764
(NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 87840438
3-(3,4-dichlorophenyl)cyclopentan-1-ol
CID 64516023
6-cyclohexyl-1,2,3,4-tetrahydroanthracene
CID 141269352
6-cyclohexyl-2,3-dihydroinden-1-one
CID 125481421
7-cyclohexyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 18472389

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol (CID 114194593) is 3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol is OC1CCCCC(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol?
The InChIKey is LQVIVWSTPBMQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c17-16-7-2-1-4-14(11-16)15-9-8-12-5-3-6-13(12)10-15/h8-10,14,16-17H,1-7,11H2.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol?
3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yl)cycloheptan-1-ol is sourced from PubChem (CID 114194593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).