1-(4-methoxyphenyl)decane-1,2-diol

C17H28O3 — CID 77411526

IUPAC1-(4-methoxyphenyl)decane-1,2-diol
SMILESCCCCCCCCC(O)C(O)c1ccc(OC)cc1
InChIInChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-16(18)17(19)14-10-12-15(20-2)13-11-14/h10-13,16-19H,3-9H2,1-2H3
InChIKeyCUNQUYYZXRPKNM-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.84
Rot. Bonds10

About 1-(4-methoxyphenyl)decane-1,2-diol

1-(4-methoxyphenyl)decane-1,2-diol (PubChem CID 77411526) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)decane-1,2-diol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)decane-1,2-diol
PubChem CID77411526
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name1-(4-methoxyphenyl)decane-1,2-diol
SMILESCCCCCCCCC(O)C(O)c1ccc(OC)cc1
InChIInChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-16(18)17(19)14-10-12-15(20-2)13-11-14/h10-13,16-19H,3-9H2,1-2H3
InChIKeyCUNQUYYZXRPKNM-UHFFFAOYSA-N
XLogP3.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
(1R,2S)-1-(4-methylphenyl)nonane-1,2-diol
CID 15778520
(1R,2S)-1-(4-chlorophenyl)nonane-1,2-diol
CID 15778521
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
1-(4-methoxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171873723
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
2-(hexylamino)-1-(4-methoxyphenyl)butan-1-ol
CID 82313925
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(4-methoxyphenoxy)tetradecan-2-ol
CID 59993706

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)decane-1,2-diol?
The IUPAC name of 1-(4-methoxyphenyl)decane-1,2-diol (CID 77411526) is 1-(4-methoxyphenyl)decane-1,2-diol.
What is the SMILES notation for 1-(4-methoxyphenyl)decane-1,2-diol?
The canonical SMILES for 1-(4-methoxyphenyl)decane-1,2-diol is CCCCCCCCC(O)C(O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)decane-1,2-diol?
The InChIKey is CUNQUYYZXRPKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-16(18)17(19)14-10-12-15(20-2)13-11-14/h10-13,16-19H,3-9H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)decane-1,2-diol?
1-(4-methoxyphenyl)decane-1,2-diol has a molecular weight of 280.41 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)decane-1,2-diol is sourced from PubChem (CID 77411526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).