(1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol

C15H22O2 — CID 10879069

IUPAC(1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol
SMILESC=C([C@H](OC)[C@H](O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H22O2/c1-11(15(2,3)4)14(17-5)13(16)12-9-7-6-8-10-12/h6-10,13-14,16H,1H2,2-5H3/t13-,14+/m1/s1
InChIKeySQTVYOSWCYWQBU-KGLIPLIRSA-N
MW234.34 g/mol
LogP3.34
Rot. Bonds4

About (1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol

(1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol (PubChem CID 10879069) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol
PubChem CID10879069
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol
SMILESC=C([C@H](OC)[C@H](O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H22O2/c1-11(15(2,3)4)14(17-5)13(16)12-9-7-6-8-10-12/h6-10,13-14,16H,1H2,2-5H3/t13-,14+/m1/s1
InChIKeySQTVYOSWCYWQBU-KGLIPLIRSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.34
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

1,2-diphenylethane-1,2-diol
CID 159073808
ethene;2-methyl-1-phenyl-3-sulfanylbut-3-en-1-ol
CID 142008982
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
1-methoxy-3,3-dimethyl-1-phenylbutan-2-one
CID 58533113
3,3-dimethoxy-2-methyl-1-phenylpropane-1,2-diol
CID 85272252
(1S,2S)-2-chloro-1-hydroxy-4,4-dimethyl-1-phenylpentan-3-one
CID 100965610
[(1R)-2-fluoro-1-methoxyprop-2-enyl]benzene
CID 129405321
benzene;2-phenylethane-1,1,2-triol
CID 174439943
(1S,2R,3S)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylidene-1-phenylhexan-1-ol
CID 134930493
5-methoxy-2,5-dimethyl-1-phenylhexan-1-ol
CID 103036478
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol?
The IUPAC name of (1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol (CID 10879069) is (1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol.
What is the SMILES notation for (1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol?
The canonical SMILES for (1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol is C=C([C@H](OC)[C@H](O)c1ccccc1)C(C)(C)C.
What is the InChIKey of (1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol?
The InChIKey is SQTVYOSWCYWQBU-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22O2/c1-11(15(2,3)4)14(17-5)13(16)12-9-7-6-8-10-12/h6-10,13-14,16H,1H2,2-5H3/t13-,14+/m1/s1.
What are the key properties of (1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol?
(1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-methoxy-4,4-dimethyl-3-methylidene-1-phenylpentan-1-ol is sourced from PubChem (CID 10879069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).