(2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol

C18H19ClO2 — CID 164675939

IUPAC(2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol
SMILESC=C[C@](CO)(Cc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClO2/c1-3-18(13-20,15-6-8-16(19)9-7-15)12-14-4-10-17(21-2)11-5-14/h3-11,20H,1,12-13H2,2H3/t18-/m1/s1
InChIKeySBBFEUSEPIMVTM-GOSISDBHSA-N
MW302.80 g/mol
LogP4.01
Rot. Bonds6

About (2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol

(2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol (PubChem CID 164675939) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol
PubChem CID164675939
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name(2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol
SMILESC=C[C@](CO)(Cc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClO2/c1-3-18(13-20,15-6-8-16(19)9-7-15)12-14-4-10-17(21-2)11-5-14/h3-11,20H,1,12-13H2,2H3/t18-/m1/s1
InChIKeySBBFEUSEPIMVTM-GOSISDBHSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.01
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

(2R)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-methylpropanal
CID 42177102
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
2-(4-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61048116
2-[(4-methoxyphenyl)methyl]-2-methylbut-3-enoic acid
CID 102639505
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol
CID 105468174
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
3-[(dimethylamino)methyl]-1,2-bis(4-methoxyphenyl)but-3-en-2-ol;hydrochloride
CID 163512898
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)propan-2-yl]acetamide
CID 113091682
[4-[1-(4-methoxyphenyl)-2-phenylbut-3-en-2-yl]phenyl] 2,2-dimethylpropanoate
CID 89454247

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol (CID 164675939) is (2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol is C=C[C@](CO)(Cc1ccc(OC)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol?
The InChIKey is SBBFEUSEPIMVTM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-3-18(13-20,15-6-8-16(19)9-7-15)12-14-4-10-17(21-2)11-5-14/h3-11,20H,1,12-13H2,2H3/t18-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol?
(2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol has a molecular weight of 302.80 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]but-3-en-1-ol is sourced from PubChem (CID 164675939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).