(5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol

C15H24O3 — CID 71094748

IUPAC(5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol
SMILESCCC[C@@](C)(O)CC(O)CCc1ccc(O)cc1
InChIInChI=1S/C15H24O3/c1-3-10-15(2,18)11-14(17)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,14,16-18H,3,6,9-11H2,1-2H3/t14?,15-/m1/s1
InChIKeyUMUQGWPAQHYMOM-YSSOQSIOSA-N
MW252.35 g/mol
LogP2.63
Rot. Bonds7

About (5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol

(5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol (PubChem CID 71094748) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol.

Molecular Properties

Compound Name(5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol
PubChem CID71094748
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol
SMILESCCC[C@@](C)(O)CC(O)CCc1ccc(O)cc1
InChIInChI=1S/C15H24O3/c1-3-10-15(2,18)11-14(17)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,14,16-18H,3,6,9-11H2,1-2H3/t14?,15-/m1/s1
InChIKeyUMUQGWPAQHYMOM-YSSOQSIOSA-N
XLogP2.63
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxy-2-methylpentyl)-3-(4-hydroxyphenyl)propanamide
CID 106292177
(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432
1-(4-hydroxyphenyl)heptane-3,4-diol
CID 83930457
4-[3-hydroxy-4-(4-hydroxyphenyl)butyl]phenol
CID 66690172
4-(3,5-dimethyloctyl)phenol
CID 174906830
4-(5,5-dimethyloctyl)phenol
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2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
4-(3-methylpentyl)phenol
CID 57225129
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-2-methylpentanamide
CID 67514620
4-[(3S)-3-[[(2S)-6-hydroxy-6-methylheptan-2-yl]amino]butyl]phenol
CID 39817717
4-(3-amino-3-hydroxypropyl)phenol
CID 57225186
4-[(3S,5R)-3-hydroxy-7-(4-hydroxyphenyl)-5-methoxyhept-6-enyl]phenol
CID 162862536

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol?
The IUPAC name of (5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol (CID 71094748) is (5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol.
What is the SMILES notation for (5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol?
The canonical SMILES for (5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol is CCC[C@@](C)(O)CC(O)CCc1ccc(O)cc1.
What is the InChIKey of (5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol?
The InChIKey is UMUQGWPAQHYMOM-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-10-15(2,18)11-14(17)9-6-12-4-7-13(16)8-5-12/h4-5,7-8,14,16-18H,3,6,9-11H2,1-2H3/t14?,15-/m1/s1.
What are the key properties of (5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol?
(5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol has a molecular weight of 252.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(4-hydroxyphenyl)-5-methyloctane-3,5-diol is sourced from PubChem (CID 71094748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).