(1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol

C15H22O3 — CID 140533860

IUPAC(1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol
SMILESC=CCC(C)(C)[C@@H](O)OCc1ccc(OC)cc1
InChIInChI=1S/C15H22O3/c1-5-10-15(2,3)14(16)18-11-12-6-8-13(17-4)9-7-12/h5-9,14,16H,1,10-11H2,2-4H3/t14-/m0/s1
InChIKeyVSEXYLNSDJMMTQ-AWEZNQCLSA-N
MW250.34 g/mol
LogP3.13
Rot. Bonds7

About (1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol

(1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol (PubChem CID 140533860) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol
PubChem CID140533860
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol
SMILESC=CCC(C)(C)[C@@H](O)OCc1ccc(OC)cc1
InChIInChI=1S/C15H22O3/c1-5-10-15(2,3)14(16)18-11-12-6-8-13(17-4)9-7-12/h5-9,14,16H,1,10-11H2,2-4H3/t14-/m0/s1
InChIKeyVSEXYLNSDJMMTQ-AWEZNQCLSA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[(3S)-4,4-dimethylpent-1-en-3-yl]oxymethyl]-4-methoxybenzene
CID 173117366
(2R,3S)-3-[(4-methoxyphenyl)methoxy]pent-4-ene-1,2-diol
CID 102381132
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
(2E,5S)-5-[(4-methoxyphenyl)methoxy]-4,4-dimethylhepta-2,6-dien-1-ol
CID 10869554
(4S,8S)-8-[(4-methoxyphenyl)methoxy]-8-phenyloct-1-en-4-ol
CID 162393497
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(2R,5S)-5-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 24938597
2-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)hept-6-ene-1,4-diol
CID 72976602
(3S,4S,5R,7S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4-methoxyphenyl)methoxy]-5-methyloctan-2-ol
CID 71469752

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol?
The IUPAC name of (1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol (CID 140533860) is (1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol.
What is the SMILES notation for (1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol?
The canonical SMILES for (1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol is C=CCC(C)(C)[C@@H](O)OCc1ccc(OC)cc1.
What is the InChIKey of (1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol?
The InChIKey is VSEXYLNSDJMMTQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-10-15(2,3)14(16)18-11-12-6-8-13(17-4)9-7-12/h5-9,14,16H,1,10-11H2,2-4H3/t14-/m0/s1.
What are the key properties of (1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol?
(1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol has a molecular weight of 250.34 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(4-methoxyphenyl)methoxy]-2,2-dimethylpent-4-en-1-ol is sourced from PubChem (CID 140533860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).