(Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol

C21H26O2 — CID 10358052

IUPAC(Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
SMILESC/C(=C/[C@@H](C)COCc1ccccc1)C[C@H](O)c1ccccc1
InChIInChI=1S/C21H26O2/c1-17(14-21(22)20-11-7-4-8-12-20)13-18(2)15-23-16-19-9-5-3-6-10-19/h3-13,18,21-22H,14-16H2,1-2H3/b17-13-/t18-,21+/m1/s1
InChIKeyMYBJURCWFPRWFO-LDQLGUEGSA-N
MW310.44 g/mol
LogP4.91
Rot. Bonds8

About (Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol

(Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol (PubChem CID 10358052) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol.

Molecular Properties

Compound Name(Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
PubChem CID10358052
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name(Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
SMILESC/C(=C/[C@@H](C)COCc1ccccc1)C[C@H](O)c1ccccc1
InChIInChI=1S/C21H26O2/c1-17(14-21(22)20-11-7-4-8-12-20)13-18(2)15-23-16-19-9-5-3-6-10-19/h3-13,18,21-22H,14-16H2,1-2H3/b17-13-/t18-,21+/m1/s1
InChIKeyMYBJURCWFPRWFO-LDQLGUEGSA-N
XLogP4.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z,1R,5R)-5-methyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 15043730
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(Z,1S,5R)-6-(methoxymethoxymethoxy)-1-(4-methoxyphenyl)-3,5-dimethylhex-3-en-1-ol
CID 10426415
trimethyl-[(Z,4R)-4-methyl-1-phenyl-5-phenylmethoxypent-2-en-2-yl]silane
CID 101162239
(E,5S)-3-methyl-6-phenylmethoxyhex-2-ene-1,5-diol
CID 102174023
(E,2S,3R)-2,4-dimethyl-1-phenylmethoxyhex-4-en-3-ol
CID 164675342
2-phenylmethoxyethane-1,1-diol
CID 59866645
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
(3Z,6E,10R)-2,4,6,8,10-pentamethyl-11-phenylmethoxyundeca-3,6-diene-1,9-diol
CID 135008412
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820

Frequently Asked Questions

What is the IUPAC name of (Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol?
The IUPAC name of (Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol (CID 10358052) is (Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol.
What is the SMILES notation for (Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol?
The canonical SMILES for (Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol is C/C(=C/[C@@H](C)COCc1ccccc1)C[C@H](O)c1ccccc1.
What is the InChIKey of (Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol?
The InChIKey is MYBJURCWFPRWFO-LDQLGUEGSA-N. The full InChI is InChI=1S/C21H26O2/c1-17(14-21(22)20-11-7-4-8-12-20)13-18(2)15-23-16-19-9-5-3-6-10-19/h3-13,18,21-22H,14-16H2,1-2H3/b17-13-/t18-,21+/m1/s1.
What are the key properties of (Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol?
(Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol has a molecular weight of 310.44 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol is sourced from PubChem (CID 10358052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).