[4-[(2-propoxyphenoxy)methyl]phenyl]methanol

C17H20O3 — CID 115969538

IUPAC[4-[(2-propoxyphenoxy)methyl]phenyl]methanol
SMILESCCCOc1ccccc1OCc1ccc(CO)cc1
InChIInChI=1S/C17H20O3/c1-2-11-19-16-5-3-4-6-17(16)20-13-15-9-7-14(12-18)8-10-15/h3-10,18H,2,11-13H2,1H3
InChIKeyMKKVCJDPXYMSHK-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.55
Rot. Bonds7

About [4-[(2-propoxyphenoxy)methyl]phenyl]methanol

[4-[(2-propoxyphenoxy)methyl]phenyl]methanol (PubChem CID 115969538) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is [4-[(2-propoxyphenoxy)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2-propoxyphenoxy)methyl]phenyl]methanol
PubChem CID115969538
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name[4-[(2-propoxyphenoxy)methyl]phenyl]methanol
SMILESCCCOc1ccccc1OCc1ccc(CO)cc1
InChIInChI=1S/C17H20O3/c1-2-11-19-16-5-3-4-6-17(16)20-13-15-9-7-14(12-18)8-10-15/h3-10,18H,2,11-13H2,1H3
InChIKeyMKKVCJDPXYMSHK-UHFFFAOYSA-N
XLogP3.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide
CID 24700707
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
CID 81151158
[4-[[2-(hydroxyamino)phenoxy]methyl]phenyl]methanol
CID 176989777
N,N-diethyl-2-[[4-(hydroxymethyl)phenyl]methoxy]benzamide
CID 141451288
propyl 4-[(2-aminophenoxy)methyl]benzoate
CID 39109159
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
1-(2-propoxyphenyl)ethanol
CID 43503976
butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
CID 123962900

Frequently Asked Questions

What is the IUPAC name of [4-[(2-propoxyphenoxy)methyl]phenyl]methanol?
The IUPAC name of [4-[(2-propoxyphenoxy)methyl]phenyl]methanol (CID 115969538) is [4-[(2-propoxyphenoxy)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(2-propoxyphenoxy)methyl]phenyl]methanol?
The canonical SMILES for [4-[(2-propoxyphenoxy)methyl]phenyl]methanol is CCCOc1ccccc1OCc1ccc(CO)cc1.
What is the InChIKey of [4-[(2-propoxyphenoxy)methyl]phenyl]methanol?
The InChIKey is MKKVCJDPXYMSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-2-11-19-16-5-3-4-6-17(16)20-13-15-9-7-14(12-18)8-10-15/h3-10,18H,2,11-13H2,1H3.
What are the key properties of [4-[(2-propoxyphenoxy)methyl]phenyl]methanol?
[4-[(2-propoxyphenoxy)methyl]phenyl]methanol has a molecular weight of 272.34 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-propoxyphenoxy)methyl]phenyl]methanol is sourced from PubChem (CID 115969538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).