[3-butoxy-4-(3-methoxyphenyl)phenyl]methanol

C18H22O3 — CID 58380155

IUPAC[3-butoxy-4-(3-methoxyphenyl)phenyl]methanol
SMILESCCCCOc1cc(CO)ccc1-c1cccc(OC)c1
InChIInChI=1S/C18H22O3/c1-3-4-10-21-18-11-14(13-19)8-9-17(18)15-6-5-7-16(12-15)20-2/h5-9,11-12,19H,3-4,10,13H2,1-2H3
InChIKeyDNACEQKOMUHYHT-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.03
Rot. Bonds7

About [3-butoxy-4-(3-methoxyphenyl)phenyl]methanol

[3-butoxy-4-(3-methoxyphenyl)phenyl]methanol (PubChem CID 58380155) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is [3-butoxy-4-(3-methoxyphenyl)phenyl]methanol.

Molecular Properties

Compound Name[3-butoxy-4-(3-methoxyphenyl)phenyl]methanol
PubChem CID58380155
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name[3-butoxy-4-(3-methoxyphenyl)phenyl]methanol
SMILESCCCCOc1cc(CO)ccc1-c1cccc(OC)c1
InChIInChI=1S/C18H22O3/c1-3-4-10-21-18-11-14(13-19)8-9-17(18)15-6-5-7-16(12-15)20-2/h5-9,11-12,19H,3-4,10,13H2,1-2H3
InChIKeyDNACEQKOMUHYHT-UHFFFAOYSA-N
XLogP4.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 157352801
CID 157352801
4-[5-methoxy-2-[4-(4-pentoxyphenyl)phenyl]phenoxy]butan-1-amine
CID 138570577
2-[2-[4-(4-hexylphenyl)phenyl]-5-methoxyphenoxy]ethanamine
CID 138570571
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine
CID 170456496
(3-methoxyphenyl)(113C)methanol
CID 11593446
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806
[3,4-di(nonoxy)phenyl]methanol
CID 143615493
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
[3-(2-butoxyethoxy)phenyl]methanol
CID 61483192
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225

Frequently Asked Questions

What is the IUPAC name of [3-butoxy-4-(3-methoxyphenyl)phenyl]methanol?
The IUPAC name of [3-butoxy-4-(3-methoxyphenyl)phenyl]methanol (CID 58380155) is [3-butoxy-4-(3-methoxyphenyl)phenyl]methanol.
What is the SMILES notation for [3-butoxy-4-(3-methoxyphenyl)phenyl]methanol?
The canonical SMILES for [3-butoxy-4-(3-methoxyphenyl)phenyl]methanol is CCCCOc1cc(CO)ccc1-c1cccc(OC)c1.
What is the InChIKey of [3-butoxy-4-(3-methoxyphenyl)phenyl]methanol?
The InChIKey is DNACEQKOMUHYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-3-4-10-21-18-11-14(13-19)8-9-17(18)15-6-5-7-16(12-15)20-2/h5-9,11-12,19H,3-4,10,13H2,1-2H3.
What are the key properties of [3-butoxy-4-(3-methoxyphenyl)phenyl]methanol?
[3-butoxy-4-(3-methoxyphenyl)phenyl]methanol has a molecular weight of 286.37 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butoxy-4-(3-methoxyphenyl)phenyl]methanol is sourced from PubChem (CID 58380155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).