1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol

C15H22O2 — CID 102080429

IUPAC1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCCCC(O)C1(O)CCCc2ccccc21
InChIInChI=1S/C15H22O2/c1-2-3-10-14(16)15(17)11-6-8-12-7-4-5-9-13(12)15/h4-5,7,9,14,16-17H,2-3,6,8,10-11H2,1H3
InChIKeyKOJRJXWATUQISL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.76
Rot. Bonds4

About 1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol

1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 102080429) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID102080429
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESCCCCC(O)C1(O)CCCc2ccccc21
InChIInChI=1S/C15H22O2/c1-2-3-10-14(16)15(17)11-6-8-12-7-4-5-9-13(12)15/h4-5,7,9,14,16-17H,2-3,6,8,10-11H2,1H3
InChIKeyKOJRJXWATUQISL-UHFFFAOYSA-N
XLogP2.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(1-hydroxy-2,3-dihydroinden-1-yl)pentanoate
CID 83043699
5-(1-aminobutan-2-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 79128863
1-(1-phenylcyclohexyl)pentan-1-ol
CID 55187170
1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 164700844
(1S)-1-hex-1-ynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 164700841
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147
ethyl 2-(1-cyano-3,4-dihydro-2H-naphthalen-1-yl)-2-hydroxyacetate
CID 79128988
1-(1-aminoprop-2-enyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 70513722
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
N,N-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-1-amine
CID 70072861
1-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 43809321
1-pentyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402868

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol (CID 102080429) is 1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol is CCCCC(O)C1(O)CCCc2ccccc21.
What is the InChIKey of 1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is KOJRJXWATUQISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-3-10-14(16)15(17)11-6-8-12-7-4-5-9-13(12)15/h4-5,7,9,14,16-17H,2-3,6,8,10-11H2,1H3.
What are the key properties of 1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol?
1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypentyl)-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 102080429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).