4-methyl-7-phenylmethoxyheptan-1-ol

C15H24O2 — CID 142091030

IUPAC4-methyl-7-phenylmethoxyheptan-1-ol
SMILESCC(CCCO)CCCOCc1ccccc1
InChIInChI=1S/C15H24O2/c1-14(7-5-11-16)8-6-12-17-13-15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3
InChIKeyZZMLDNBCCLXDLH-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.39
Rot. Bonds9

About 4-methyl-7-phenylmethoxyheptan-1-ol

4-methyl-7-phenylmethoxyheptan-1-ol (PubChem CID 142091030) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-methyl-7-phenylmethoxyheptan-1-ol.

Molecular Properties

Compound Name4-methyl-7-phenylmethoxyheptan-1-ol
PubChem CID142091030
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-methyl-7-phenylmethoxyheptan-1-ol
SMILESCC(CCCO)CCCOCc1ccccc1
InChIInChI=1S/C15H24O2/c1-14(7-5-11-16)8-6-12-17-13-15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3
InChIKeyZZMLDNBCCLXDLH-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.39
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

3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
(7S)-7,10-bis(phenylmethoxy)decan-1-ol
CID 25269371
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
CID 164592846
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenylmethoxyheptan-1-ol?
The IUPAC name of 4-methyl-7-phenylmethoxyheptan-1-ol (CID 142091030) is 4-methyl-7-phenylmethoxyheptan-1-ol.
What is the SMILES notation for 4-methyl-7-phenylmethoxyheptan-1-ol?
The canonical SMILES for 4-methyl-7-phenylmethoxyheptan-1-ol is CC(CCCO)CCCOCc1ccccc1.
What is the InChIKey of 4-methyl-7-phenylmethoxyheptan-1-ol?
The InChIKey is ZZMLDNBCCLXDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(7-5-11-16)8-6-12-17-13-15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3.
What are the key properties of 4-methyl-7-phenylmethoxyheptan-1-ol?
4-methyl-7-phenylmethoxyheptan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenylmethoxyheptan-1-ol is sourced from PubChem (CID 142091030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).