3-naphthalen-1-ylpentane-2,4-diol

C15H18O2 — CID 140608407

IUPAC3-naphthalen-1-ylpentane-2,4-diol
SMILESCC(O)C(c1cccc2ccccc12)C(C)O
InChIInChI=1S/C15H18O2/c1-10(16)15(11(2)17)14-9-5-7-12-6-3-4-8-13(12)14/h3-11,15-17H,1-2H3
InChIKeyOJFQCQAZIUSDAS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.68
Rot. Bonds3

About 3-naphthalen-1-ylpentane-2,4-diol

3-naphthalen-1-ylpentane-2,4-diol (PubChem CID 140608407) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-naphthalen-1-ylpentane-2,4-diol.

Molecular Properties

Compound Name3-naphthalen-1-ylpentane-2,4-diol
PubChem CID140608407
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-naphthalen-1-ylpentane-2,4-diol
SMILESCC(O)C(c1cccc2ccccc12)C(C)O
InChIInChI=1S/C15H18O2/c1-10(16)15(11(2)17)14-9-5-7-12-6-3-4-8-13(12)14/h3-11,15-17H,1-2H3
InChIKeyOJFQCQAZIUSDAS-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
CID 174906138
CID 174906138
2-methyl-1-naphthalen-1-ylbut-3-en-1-ol
CID 85312349
(1R,2S)-1-naphthalen-1-yl-2-phenylpropan-1-ol
CID 11161331
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
butane;1-propan-2-ylnaphthalene
CID 157253186
potassium [(1S)-1-naphthalen-1-ylethyl]azanide
CID 100993742
(1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol
CID 102507532
dihydroxy(oxo)phosphanium;1-propan-2-ylnaphthalene
CID 68581235

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylpentane-2,4-diol?
The IUPAC name of 3-naphthalen-1-ylpentane-2,4-diol (CID 140608407) is 3-naphthalen-1-ylpentane-2,4-diol.
What is the SMILES notation for 3-naphthalen-1-ylpentane-2,4-diol?
The canonical SMILES for 3-naphthalen-1-ylpentane-2,4-diol is CC(O)C(c1cccc2ccccc12)C(C)O.
What is the InChIKey of 3-naphthalen-1-ylpentane-2,4-diol?
The InChIKey is OJFQCQAZIUSDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-10(16)15(11(2)17)14-9-5-7-12-6-3-4-8-13(12)14/h3-11,15-17H,1-2H3.
What are the key properties of 3-naphthalen-1-ylpentane-2,4-diol?
3-naphthalen-1-ylpentane-2,4-diol has a molecular weight of 230.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylpentane-2,4-diol is sourced from PubChem (CID 140608407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).