(3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol

C24H32O2 — CID 101145268

IUPAC(3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol
SMILESC=C(C[C@@H](O)C(C)C)[C@H](CCc1ccccc1)[C@@H](OC)c1ccccc1
InChIInChI=1S/C24H32O2/c1-18(2)23(25)17-19(3)22(16-15-20-11-7-5-8-12-20)24(26-4)21-13-9-6-10-14-21/h5-14,18,22-25H,3,15-17H2,1-2,4H3/t22-,23+,24-/m0/s1
InChIKeyRBPIHESWORECIT-VXNXHJTFSA-N
MW352.52 g/mol
LogP5.59
Rot. Bonds10

About (3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol

(3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol (PubChem CID 101145268) has the molecular formula C24H32O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is (3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol.

Molecular Properties

Compound Name(3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol
PubChem CID101145268
Molecular FormulaC24H32O2
Molecular Weight352.52 g/mol
Exact Mass352.24
IUPAC Name(3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol
SMILESC=C(C[C@@H](O)C(C)C)[C@H](CCc1ccccc1)[C@@H](OC)c1ccccc1
InChIInChI=1S/C24H32O2/c1-18(2)23(25)17-19(3)22(16-15-20-11-7-5-8-12-20)24(26-4)21-13-9-6-10-14-21/h5-14,18,22-25H,3,15-17H2,1-2,4H3/t22-,23+,24-/m0/s1
InChIKeyRBPIHESWORECIT-VXNXHJTFSA-N
XLogP5.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.59
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

[(3S)-3-[(R)-methoxy(phenyl)methyl]-2-methylidene-5-phenylpentyl]-dimethyl-phenylsilane
CID 101273387
1-methoxy-4-methylidene-1-phenylhexan-2-ol
CID 116756832
(2S,3R)-3-methoxy-3-phenylpropane-1,2-diol
CID 14249015
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
1-methoxy-6-methyl-1-phenylheptan-2-ol
CID 116756994
(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10824468
1-methoxy-1-phenylbutan-2-ol
CID 116756893
(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
CID 101011502
propan-2-yl (3S)-3-(dimethoxymethyl)-2-methylidene-5-phenylpentanoate
CID 132938651
2-methyl-7-phenylheptan-3-ol
CID 10976646
(1R)-1,3-diphenylpropan-1-ol
CID 11845542

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol?
The IUPAC name of (3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol (CID 101145268) is (3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol.
What is the SMILES notation for (3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol?
The canonical SMILES for (3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol is C=C(C[C@@H](O)C(C)C)[C@H](CCc1ccccc1)[C@@H](OC)c1ccccc1.
What is the InChIKey of (3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol?
The InChIKey is RBPIHESWORECIT-VXNXHJTFSA-N. The full InChI is InChI=1S/C24H32O2/c1-18(2)23(25)17-19(3)22(16-15-20-11-7-5-8-12-20)24(26-4)21-13-9-6-10-14-21/h5-14,18,22-25H,3,15-17H2,1-2,4H3/t22-,23+,24-/m0/s1.
What are the key properties of (3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol?
(3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol has a molecular weight of 352.52 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-[(R)-methoxy(phenyl)methyl]-2-methyl-5-methylidene-8-phenyloctan-3-ol is sourced from PubChem (CID 101145268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).