6-pentylnaphthalen-1-ol

C15H18O — CID 69480806

IUPAC6-pentylnaphthalen-1-ol
SMILESCCCCCc1ccc2c(O)cccc2c1
InChIInChI=1S/C15H18O/c1-2-3-4-6-12-9-10-14-13(11-12)7-5-8-15(14)16/h5,7-11,16H,2-4,6H2,1H3
InChIKeyOAVFKWCOWHQYLX-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.28
Rot. Bonds4

About 6-pentylnaphthalen-1-ol

6-pentylnaphthalen-1-ol (PubChem CID 69480806) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 6-pentylnaphthalen-1-ol.

Molecular Properties

Compound Name6-pentylnaphthalen-1-ol
PubChem CID69480806
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name6-pentylnaphthalen-1-ol
SMILESCCCCCc1ccc2c(O)cccc2c1
InChIInChI=1S/C15H18O/c1-2-3-4-6-12-9-10-14-13(11-12)7-5-8-15(14)16/h5,7-11,16H,2-4,6H2,1H3
InChIKeyOAVFKWCOWHQYLX-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-pentylnaphthalene-1-sulfonic acid
CID 101315005
6-hexyl-N-methylnaphthalen-1-amine
CID 174703881
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397
6-pentoxynaphthalen-1-ol
CID 22144289
2-amino-3-(6-octylnaphthalen-1-yl)propan-1-ol
CID 70863301
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
1,7-di(nonyl)naphthalene
CID 173372724
6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol
CID 166440328
7,17-dioctyl-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 132570503
1-naphthalen-1-yl-3-pentylnaphthalene
CID 23002709

Frequently Asked Questions

What is the IUPAC name of 6-pentylnaphthalen-1-ol?
The IUPAC name of 6-pentylnaphthalen-1-ol (CID 69480806) is 6-pentylnaphthalen-1-ol.
What is the SMILES notation for 6-pentylnaphthalen-1-ol?
The canonical SMILES for 6-pentylnaphthalen-1-ol is CCCCCc1ccc2c(O)cccc2c1.
What is the InChIKey of 6-pentylnaphthalen-1-ol?
The InChIKey is OAVFKWCOWHQYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-2-3-4-6-12-9-10-14-13(11-12)7-5-8-15(14)16/h5,7-11,16H,2-4,6H2,1H3.
What are the key properties of 6-pentylnaphthalen-1-ol?
6-pentylnaphthalen-1-ol has a molecular weight of 214.31 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentylnaphthalen-1-ol is sourced from PubChem (CID 69480806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).