[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol

C18H22O2 — CID 115969368

IUPAC[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol
SMILESCc1ccc(C(C)C)c(OCc2ccc(CO)cc2)c1
InChIInChI=1S/C18H22O2/c1-13(2)17-9-4-14(3)10-18(17)20-12-16-7-5-15(11-19)6-8-16/h4-10,13,19H,11-12H2,1-3H3
InChIKeyQSZAQRKRWQKKLY-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.19
Rot. Bonds5

About [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol

[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol (PubChem CID 115969368) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol
PubChem CID115969368
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol
SMILESCc1ccc(C(C)C)c(OCc2ccc(CO)cc2)c1
InChIInChI=1S/C18H22O2/c1-13(2)17-9-4-14(3)10-18(17)20-12-16-7-5-15(11-19)6-8-16/h4-10,13,19H,11-12H2,1-3H3
InChIKeyQSZAQRKRWQKKLY-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
1-[4-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 55244186
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carbonyl chloride
CID 19619566
(1S)-1-[2-[(4-methoxyphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947366
4-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyridine-2-carbothioamide
CID 63882322
3-methoxy-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]aniline
CID 81145541
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 82919064
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzamide
CID 6112531
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
(1R)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 78946962
(1S)-1-[2-[(3,4-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63650101
1-[4-bromo-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 102948306

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol?
The IUPAC name of [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol (CID 115969368) is [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol?
The canonical SMILES for [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol is Cc1ccc(C(C)C)c(OCc2ccc(CO)cc2)c1.
What is the InChIKey of [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol?
The InChIKey is QSZAQRKRWQKKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13(2)17-9-4-14(3)10-18(17)20-12-16-7-5-15(11-19)6-8-16/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol?
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol has a molecular weight of 270.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanol is sourced from PubChem (CID 115969368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).