(1S)-1-(4-methoxyphenyl)nonan-1-ol

C16H26O2 — CID 15156207

IUPAC(1S)-1-(4-methoxyphenyl)nonan-1-ol
SMILESCCCCCCCC[C@H](O)c1ccc(OC)cc1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-16(17)14-10-12-15(18-2)13-11-14/h10-13,16-17H,3-9H2,1-2H3/t16-/m0/s1
InChIKeyVAGJRVIKPZBGKR-INIZCTEOSA-N
MW250.38 g/mol
LogP4.48
Rot. Bonds9

About (1S)-1-(4-methoxyphenyl)nonan-1-ol

(1S)-1-(4-methoxyphenyl)nonan-1-ol (PubChem CID 15156207) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)nonan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)nonan-1-ol
PubChem CID15156207
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(1S)-1-(4-methoxyphenyl)nonan-1-ol
SMILESCCCCCCCC[C@H](O)c1ccc(OC)cc1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-16(17)14-10-12-15(18-2)13-11-14/h10-13,16-17H,3-9H2,1-2H3/t16-/m0/s1
InChIKeyVAGJRVIKPZBGKR-INIZCTEOSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-(4-methoxyphenyl)decane-1,2-diol
CID 77411526
1-methoxy-4-[1-(4-methoxyphenyl)octyl]benzene
CID 10520209
1-methoxy-4-[1-(4-methoxyphenyl)henicosyl]benzene
CID 168813672
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
1-methoxy-4-[1-(4-methoxyphenyl)heptyl]benzene
CID 57185259
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
1-(4-methoxyphenyl)heptylhydrazine
CID 105190916
4-(1-hydroxytridecyl)phenol
CID 57120972
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 (1S)-1-(4-methoxyphenyl)nonan-1-ol?
The IUPAC name of (1S)-1-(4-methoxyphenyl)nonan-1-ol (CID 15156207) is (1S)-1-(4-methoxyphenyl)nonan-1-ol.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)nonan-1-ol?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)nonan-1-ol is CCCCCCCC[C@H](O)c1ccc(OC)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)nonan-1-ol?
The InChIKey is VAGJRVIKPZBGKR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-16(17)14-10-12-15(18-2)13-11-14/h10-13,16-17H,3-9H2,1-2H3/t16-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)nonan-1-ol?
(1S)-1-(4-methoxyphenyl)nonan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)nonan-1-ol is sourced from PubChem (CID 15156207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).