(4S)-6-methyl-1-phenylmethoxyheptan-4-ol

C15H24O2 — CID 11322322

IUPAC(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
SMILESCC(C)C[C@@H](O)CCCOCc1ccccc1
InChIInChI=1S/C15H24O2/c1-13(2)11-15(16)9-6-10-17-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t15-/m0/s1
InChIKeyKFKPCBGMOYBQHI-HNNXBMFYSA-N
MW236.35 g/mol
LogP3.39
Rot. Bonds8

About (4S)-6-methyl-1-phenylmethoxyheptan-4-ol

(4S)-6-methyl-1-phenylmethoxyheptan-4-ol (PubChem CID 11322322) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4S)-6-methyl-1-phenylmethoxyheptan-4-ol.

Molecular Properties

Compound Name(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
PubChem CID11322322
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
SMILESCC(C)C[C@@H](O)CCCOCc1ccccc1
InChIInChI=1S/C15H24O2/c1-13(2)11-15(16)9-6-10-17-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t15-/m0/s1
InChIKeyKFKPCBGMOYBQHI-HNNXBMFYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
1-fluoro-5-phenylmethoxypentan-2-ol
CID 14003295
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
(4-chloro-6-methylheptoxy)methylbenzene
CID 130537115
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
4-methyl-7-phenylmethoxyheptan-1-ol
CID 142091030
(4S)-1-phenylmethoxynon-8-en-4-ol
CID 71377063

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methyl-1-phenylmethoxyheptan-4-ol?
The IUPAC name of (4S)-6-methyl-1-phenylmethoxyheptan-4-ol (CID 11322322) is (4S)-6-methyl-1-phenylmethoxyheptan-4-ol.
What is the SMILES notation for (4S)-6-methyl-1-phenylmethoxyheptan-4-ol?
The canonical SMILES for (4S)-6-methyl-1-phenylmethoxyheptan-4-ol is CC(C)C[C@@H](O)CCCOCc1ccccc1.
What is the InChIKey of (4S)-6-methyl-1-phenylmethoxyheptan-4-ol?
The InChIKey is KFKPCBGMOYBQHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)11-15(16)9-6-10-17-12-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-6-methyl-1-phenylmethoxyheptan-4-ol?
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol has a molecular weight of 236.35 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methyl-1-phenylmethoxyheptan-4-ol is sourced from PubChem (CID 11322322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).