6-(1-hydroxypentan-3-yl)naphthalen-2-ol

C15H18O2 — CID 69467635

IUPAC6-(1-hydroxypentan-3-yl)naphthalen-2-ol
SMILESCCC(CCO)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C15H18O2/c1-2-11(7-8-16)12-3-4-14-10-15(17)6-5-13(14)9-12/h3-6,9-11,16-17H,2,7-8H2,1H3
InChIKeyICWTXUGQZPKACJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.42
Rot. Bonds4

About 6-(1-hydroxypentan-3-yl)naphthalen-2-ol

6-(1-hydroxypentan-3-yl)naphthalen-2-ol (PubChem CID 69467635) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-(1-hydroxypentan-3-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(1-hydroxypentan-3-yl)naphthalen-2-ol
PubChem CID69467635
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name6-(1-hydroxypentan-3-yl)naphthalen-2-ol
SMILESCCC(CCO)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C15H18O2/c1-2-11(7-8-16)12-3-4-14-10-15(17)6-5-13(14)9-12/h3-6,9-11,16-17H,2,7-8H2,1H3
InChIKeyICWTXUGQZPKACJ-UHFFFAOYSA-N
XLogP3.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(5-methylhexan-3-yl)naphthalen-2-ol
CID 123500206
6-[(1R)-1-amino-3-hydroxypropyl]naphthalen-2-ol
CID 131323903
6-[(1R)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride
CID 171201678
6-[(1S)-1-amino-4-hydroxybutyl]naphthalen-2-ol;hydrochloride
CID 171221215
6-(1-iodoethyl)naphthalen-2-ol
CID 147688563
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
CID 171261493
2-octan-3-ylnaphthalene
CID 14029920
2-(4-hydroxyphenyl)butane-1,4-diol
CID 139687433
butan-2-ylbenzene;6-butan-2-ylnaphthalen-2-ol;(4-butan-2-ylphenyl)methanol
CID 161227870
sodium;hydride;naphthalene-2,6-diol
CID 174639769
6-(1-hydroxy-2-methylprop-2-enyl)naphthalen-2-ol
CID 167237943
4-dodecan-3-ylphenol
CID 12820022

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxypentan-3-yl)naphthalen-2-ol?
The IUPAC name of 6-(1-hydroxypentan-3-yl)naphthalen-2-ol (CID 69467635) is 6-(1-hydroxypentan-3-yl)naphthalen-2-ol.
What is the SMILES notation for 6-(1-hydroxypentan-3-yl)naphthalen-2-ol?
The canonical SMILES for 6-(1-hydroxypentan-3-yl)naphthalen-2-ol is CCC(CCO)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-(1-hydroxypentan-3-yl)naphthalen-2-ol?
The InChIKey is ICWTXUGQZPKACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-11(7-8-16)12-3-4-14-10-15(17)6-5-13(14)9-12/h3-6,9-11,16-17H,2,7-8H2,1H3.
What are the key properties of 6-(1-hydroxypentan-3-yl)naphthalen-2-ol?
6-(1-hydroxypentan-3-yl)naphthalen-2-ol has a molecular weight of 230.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxypentan-3-yl)naphthalen-2-ol is sourced from PubChem (CID 69467635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).