6-methyl-1-phenylmethoxyhept-6-en-3-ol

C15H22O2 — CID 131052631

IUPAC6-methyl-1-phenylmethoxyhept-6-en-3-ol
SMILESC=C(C)CCC(O)CCOCc1ccccc1
InChIInChI=1S/C15H22O2/c1-13(2)8-9-15(16)10-11-17-12-14-6-4-3-5-7-14/h3-7,15-16H,1,8-12H2,2H3
InChIKeyABPMWNGDGFKKKQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.31
Rot. Bonds8

About 6-methyl-1-phenylmethoxyhept-6-en-3-ol

6-methyl-1-phenylmethoxyhept-6-en-3-ol (PubChem CID 131052631) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-methyl-1-phenylmethoxyhept-6-en-3-ol.

Molecular Properties

Compound Name6-methyl-1-phenylmethoxyhept-6-en-3-ol
PubChem CID131052631
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6-methyl-1-phenylmethoxyhept-6-en-3-ol
SMILESC=C(C)CCC(O)CCOCc1ccccc1
InChIInChI=1S/C15H22O2/c1-13(2)8-9-15(16)10-11-17-12-14-6-4-3-5-7-14/h3-7,15-16H,1,8-12H2,2H3
InChIKeyABPMWNGDGFKKKQ-UHFFFAOYSA-N
XLogP3.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-1-phenylmethoxyhept-6-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
5-methyl-1-phenylmethoxyhexan-3-ol
CID 121302735
8-methylnon-8-enoxymethylbenzene
CID 10776845
5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
(3R)-1-phenylmethoxyhept-5-yn-3-ol
CID 142182731
(3S)-1-[(4-methoxyphenyl)methoxy]-5-phenylpentan-3-ol
CID 20758158
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(4R)-1-phenylmethoxyhexane-3,4-diol
CID 165032455

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenylmethoxyhept-6-en-3-ol?
The IUPAC name of 6-methyl-1-phenylmethoxyhept-6-en-3-ol (CID 131052631) is 6-methyl-1-phenylmethoxyhept-6-en-3-ol.
What is the SMILES notation for 6-methyl-1-phenylmethoxyhept-6-en-3-ol?
The canonical SMILES for 6-methyl-1-phenylmethoxyhept-6-en-3-ol is C=C(C)CCC(O)CCOCc1ccccc1.
What is the InChIKey of 6-methyl-1-phenylmethoxyhept-6-en-3-ol?
The InChIKey is ABPMWNGDGFKKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-13(2)8-9-15(16)10-11-17-12-14-6-4-3-5-7-14/h3-7,15-16H,1,8-12H2,2H3.
What are the key properties of 6-methyl-1-phenylmethoxyhept-6-en-3-ol?
6-methyl-1-phenylmethoxyhept-6-en-3-ol has a molecular weight of 234.34 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenylmethoxyhept-6-en-3-ol is sourced from PubChem (CID 131052631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).