(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol

C18H30O3 — CID 71079760

IUPAC(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
SMILESCOc1ccc(COCC(C)C[C@@H](C)C[C@@H](C)CO)cc1
InChIInChI=1S/C18H30O3/c1-14(9-15(2)11-19)10-16(3)12-21-13-17-5-7-18(20-4)8-6-17/h5-8,14-16,19H,9-13H2,1-4H3/t14-,15+,16?/m0/s1
InChIKeyPHFVOTZQVLITQF-QMRHZFGWSA-N
MW294.44 g/mol
LogP3.89
Rot. Bonds10

About (2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol

(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol (PubChem CID 71079760) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol.

Molecular Properties

Compound Name(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
PubChem CID71079760
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
SMILESCOc1ccc(COCC(C)C[C@@H](C)C[C@@H](C)CO)cc1
InChIInChI=1S/C18H30O3/c1-14(9-15(2)11-19)10-16(3)12-21-13-17-5-7-18(20-4)8-6-17/h5-8,14-16,19H,9-13H2,1-4H3/t14-,15+,16?/m0/s1
InChIKeyPHFVOTZQVLITQF-QMRHZFGWSA-N
XLogP3.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-1-ol
CID 11219333
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
(5R)-6-[(4-methoxyphenyl)methoxy]-5-methylhex-1-yn-3-ol
CID 46896141
1-(2,4-dimethylpent-4-enoxymethyl)-4-methoxybenzene
CID 78130053
(2R,3S)-2-amino-4-[(4-methoxyphenyl)methoxy]-3-methylbutan-1-ol
CID 10857567
(3R,4S)-6-[(4-methoxyphenyl)methoxy]-2,3,4-trimethylhexane-1,5-diol
CID 90293150
(2R,4S,5R,6S)-5-[butyl(dimethyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol
CID 69022764
(E,4R)-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpent-2-en-1-ol
CID 11010385
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
(2R)-3-[(4-methoxyphenyl)methoxy]-2-phenylpropan-1-ol
CID 101173435
(2R)-2-[(4-methoxyphenyl)methoxymethyl]hexan-1-ol
CID 101173431
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol?
The IUPAC name of (2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol (CID 71079760) is (2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol.
What is the SMILES notation for (2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol?
The canonical SMILES for (2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol is COc1ccc(COCC(C)C[C@@H](C)C[C@@H](C)CO)cc1.
What is the InChIKey of (2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol?
The InChIKey is PHFVOTZQVLITQF-QMRHZFGWSA-N. The full InChI is InChI=1S/C18H30O3/c1-14(9-15(2)11-19)10-16(3)12-21-13-17-5-7-18(20-4)8-6-17/h5-8,14-16,19H,9-13H2,1-4H3/t14-,15+,16?/m0/s1.
What are the key properties of (2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol?
(2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-7-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylheptan-1-ol is sourced from PubChem (CID 71079760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).