5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol

C19H24O4 — CID 156596166

IUPAC5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol
SMILESCOc1ccc(C[C@@H](C)CC[C@@H](O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C19H24O4/c1-13(9-14-4-6-18(23-2)7-5-14)3-8-19(22)15-10-16(20)12-17(21)11-15/h4-7,10-13,19-22H,3,8-9H2,1-2H3/t13-,19+/m0/s1
InChIKeyWZZMTFIAXVXMPQ-ORAYPTAESA-N
MW316.40 g/mol
LogP3.80
Rot. Bonds7

About 5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol

5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol (PubChem CID 156596166) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol
PubChem CID156596166
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol
SMILESCOc1ccc(C[C@@H](C)CC[C@@H](O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C19H24O4/c1-13(9-14-4-6-18(23-2)7-5-14)3-8-19(22)15-10-16(20)12-17(21)11-15/h4-7,10-13,19-22H,3,8-9H2,1-2H3/t13-,19+/m0/s1
InChIKeyWZZMTFIAXVXMPQ-ORAYPTAESA-N
XLogP3.80
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-[2-hydroxy-5-[1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]phenyl]methanimidate
CID 148781237
1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 61101415
2-[1-hydroxy-2-(4-methoxyphenyl)ethyl]benzene-1,4-diol
CID 10611352
4-[4-(4-methoxyphenyl)phenyl]-3-methylbutan-1-amine
CID 82542750
1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
1-(4-iodophenyl)-2-(4-methoxyphenyl)ethanol
CID 55149346
1-(4-methoxyphenyl)pentan-2-ol
CID 61375325
(1S)-1-(4-methoxyphenyl)pentane-1,5-diol
CID 92859928
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
7-(4-hydroxyphenyl)-1-(4-methoxyphenyl)heptane-1,5-diol
CID 165355377
3,5-bis[2-(4-methoxyphenyl)ethyl]phenol
CID 172870864
(1S,4S)-1-[2-(cyclopenten-1-yl)-3-pyridinyl]-5-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 162129414

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol?
The IUPAC name of 5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol (CID 156596166) is 5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol?
The canonical SMILES for 5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol is COc1ccc(C[C@@H](C)CC[C@@H](O)c2cc(O)cc(O)c2)cc1.
What is the InChIKey of 5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol?
The InChIKey is WZZMTFIAXVXMPQ-ORAYPTAESA-N. The full InChI is InChI=1S/C19H24O4/c1-13(9-14-4-6-18(23-2)7-5-14)3-8-19(22)15-10-16(20)12-17(21)11-15/h4-7,10-13,19-22H,3,8-9H2,1-2H3/t13-,19+/m0/s1.
What are the key properties of 5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol?
5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol has a molecular weight of 316.40 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,4S)-1-hydroxy-5-(4-methoxyphenyl)-4-methylpentyl]benzene-1,3-diol is sourced from PubChem (CID 156596166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).