1-methoxy-6-methyl-1-phenylheptan-2-ol

C15H24O2 — CID 116756994

IUPAC1-methoxy-6-methyl-1-phenylheptan-2-ol
SMILESCOC(c1ccccc1)C(O)CCCC(C)C
InChIInChI=1S/C15H24O2/c1-12(2)8-7-11-14(16)15(17-3)13-9-5-4-6-10-13/h4-6,9-10,12,14-16H,7-8,11H2,1-3H3
InChIKeyYGFNSIIXENOESL-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.56
Rot. Bonds7

About 1-methoxy-6-methyl-1-phenylheptan-2-ol

1-methoxy-6-methyl-1-phenylheptan-2-ol (PubChem CID 116756994) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-methoxy-6-methyl-1-phenylheptan-2-ol.

Molecular Properties

Compound Name1-methoxy-6-methyl-1-phenylheptan-2-ol
PubChem CID116756994
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-methoxy-6-methyl-1-phenylheptan-2-ol
SMILESCOC(c1ccccc1)C(O)CCCC(C)C
InChIInChI=1S/C15H24O2/c1-12(2)8-7-11-14(16)15(17-3)13-9-5-4-6-10-13/h4-6,9-10,12,14-16H,7-8,11H2,1-3H3
InChIKeyYGFNSIIXENOESL-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14249015
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CID 10997859
1-methoxy-5-methyl-1-phenylhexan-2-amine
CID 116772767
1-methoxy-4-methylidene-1-phenylhexan-2-ol
CID 116756832
3-(3,5-dimethylphenyl)-1-methoxy-1-phenylpropan-2-ol
CID 116757000
(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
CID 12051472
(2R,3S)-2-iodo-3-methoxy-3-phenylpropan-1-ol
CID 102517713
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
2-[[(1R,2S)-1-methoxy-1-phenylpropan-2-yl]amino]ethanol
CID 7311097
(2R)-2-methoxy-2-phenylethanol
CID 6950345
1,2-dimethoxyethylbenzene;(1,2-dimethoxy-2-phenylethyl)benzene;1,2-dimethoxypropane
CID 159991566

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-methyl-1-phenylheptan-2-ol?
The IUPAC name of 1-methoxy-6-methyl-1-phenylheptan-2-ol (CID 116756994) is 1-methoxy-6-methyl-1-phenylheptan-2-ol.
What is the SMILES notation for 1-methoxy-6-methyl-1-phenylheptan-2-ol?
The canonical SMILES for 1-methoxy-6-methyl-1-phenylheptan-2-ol is COC(c1ccccc1)C(O)CCCC(C)C.
What is the InChIKey of 1-methoxy-6-methyl-1-phenylheptan-2-ol?
The InChIKey is YGFNSIIXENOESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)8-7-11-14(16)15(17-3)13-9-5-4-6-10-13/h4-6,9-10,12,14-16H,7-8,11H2,1-3H3.
What are the key properties of 1-methoxy-6-methyl-1-phenylheptan-2-ol?
1-methoxy-6-methyl-1-phenylheptan-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-methyl-1-phenylheptan-2-ol is sourced from PubChem (CID 116756994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).