6-methyl-7-phenylmethoxyhept-2-en-4-ol

C15H22O2 — CID 57213229

IUPAC6-methyl-7-phenylmethoxyhept-2-en-4-ol
SMILESCC=CC(O)CC(C)COCc1ccccc1
InChIInChI=1S/C15H22O2/c1-3-7-15(16)10-13(2)11-17-12-14-8-5-4-6-9-14/h3-9,13,15-16H,10-12H2,1-2H3
InChIKeyBHQLLOSRCQIFAH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.17
Rot. Bonds7

About 6-methyl-7-phenylmethoxyhept-2-en-4-ol

6-methyl-7-phenylmethoxyhept-2-en-4-ol (PubChem CID 57213229) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-methyl-7-phenylmethoxyhept-2-en-4-ol.

Molecular Properties

Compound Name6-methyl-7-phenylmethoxyhept-2-en-4-ol
PubChem CID57213229
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6-methyl-7-phenylmethoxyhept-2-en-4-ol
SMILESCC=CC(O)CC(C)COCc1ccccc1
InChIInChI=1S/C15H22O2/c1-3-7-15(16)10-13(2)11-17-12-14-8-5-4-6-9-14/h3-9,13,15-16H,10-12H2,1-2H3
InChIKeyBHQLLOSRCQIFAH-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z,2S,3R)-2-methyl-1-phenylmethoxyhex-4-en-3-ol
CID 66827710
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanal
CID 25112676
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 11459012
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
(2S,4R)-2,4-dimethyl-5-(phenylmethoxymethoxy)pentanal
CID 11139553
(3R)-3-methyl-4-phenylmethoxybutanenitrile
CID 69233531
(E)-1-phenylpent-3-en-2-ol
CID 15211245
(E,2S,3R)-2,4-dimethyl-1-phenylmethoxyhex-4-en-3-ol
CID 164675342

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-phenylmethoxyhept-2-en-4-ol?
The IUPAC name of 6-methyl-7-phenylmethoxyhept-2-en-4-ol (CID 57213229) is 6-methyl-7-phenylmethoxyhept-2-en-4-ol.
What is the SMILES notation for 6-methyl-7-phenylmethoxyhept-2-en-4-ol?
The canonical SMILES for 6-methyl-7-phenylmethoxyhept-2-en-4-ol is CC=CC(O)CC(C)COCc1ccccc1.
What is the InChIKey of 6-methyl-7-phenylmethoxyhept-2-en-4-ol?
The InChIKey is BHQLLOSRCQIFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-7-15(16)10-13(2)11-17-12-14-8-5-4-6-9-14/h3-9,13,15-16H,10-12H2,1-2H3.
What are the key properties of 6-methyl-7-phenylmethoxyhept-2-en-4-ol?
6-methyl-7-phenylmethoxyhept-2-en-4-ol has a molecular weight of 234.34 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-phenylmethoxyhept-2-en-4-ol is sourced from PubChem (CID 57213229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).