(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol

C19H24O2 — CID 78944666

IUPAC(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
SMILESCCC(C)(C)c1ccc(Oc2ccc([C@@H](C)O)cc2)cc1
InChIInChI=1S/C19H24O2/c1-5-19(3,4)16-8-12-18(13-9-16)21-17-10-6-15(7-11-17)14(2)20/h6-14,20H,5H2,1-4H3/t14-/m1/s1
InChIKeyHBBXBSHGPCQXGJ-CQSZACIVSA-N
MW284.40 g/mol
LogP5.22
Rot. Bonds5

About (1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol

(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol (PubChem CID 78944666) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
PubChem CID78944666
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
SMILESCCC(C)(C)c1ccc(Oc2ccc([C@@H](C)O)cc2)cc1
InChIInChI=1S/C19H24O2/c1-5-19(3,4)16-8-12-18(13-9-16)21-17-10-6-15(7-11-17)14(2)20/h6-14,20H,5H2,1-4H3/t14-/m1/s1
InChIKeyHBBXBSHGPCQXGJ-CQSZACIVSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanamine
CID 28537427
(1R)-1-[5-[4-(2-methylbutan-2-yl)phenoxy]-2-pyridinyl]ethanol
CID 83111249
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
(1S)-1-[4-(4-methoxyphenoxy)phenyl]ethanol
CID 63372514
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-3-propan-2-ylthiourea
CID 23847644
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
CID 129255825

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol (CID 78944666) is (1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol is CCC(C)(C)c1ccc(Oc2ccc([C@@H](C)O)cc2)cc1.
What is the InChIKey of (1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol?
The InChIKey is HBBXBSHGPCQXGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24O2/c1-5-19(3,4)16-8-12-18(13-9-16)21-17-10-6-15(7-11-17)14(2)20/h6-14,20H,5H2,1-4H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol?
(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol has a molecular weight of 284.40 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol is sourced from PubChem (CID 78944666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).