(3-hexoxy-4-methoxyphenyl)methanol

C14H22O3 — CID 29006684

IUPAC(3-hexoxy-4-methoxyphenyl)methanol
SMILESCCCCCCOc1cc(CO)ccc1OC
InChIInChI=1S/C14H22O3/c1-3-4-5-6-9-17-14-10-12(11-15)7-8-13(14)16-2/h7-8,10,15H,3-6,9,11H2,1-2H3
InChIKeyQRQKVJOXDACQHJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.15
Rot. Bonds8

About (3-hexoxy-4-methoxyphenyl)methanol

(3-hexoxy-4-methoxyphenyl)methanol (PubChem CID 29006684) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (3-hexoxy-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-hexoxy-4-methoxyphenyl)methanol
PubChem CID29006684
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(3-hexoxy-4-methoxyphenyl)methanol
SMILESCCCCCCOc1cc(CO)ccc1OC
InChIInChI=1S/C14H22O3/c1-3-4-5-6-9-17-14-10-12(11-15)7-8-13(14)16-2/h7-8,10,15H,3-6,9,11H2,1-2H3
InChIKeyQRQKVJOXDACQHJ-UHFFFAOYSA-N
XLogP3.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.15
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

[3,4-di(nonoxy)phenyl]methanol
CID 143615493
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806
4-(bromomethyl)-2-hexoxy-1-methoxybenzene
CID 43141756
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
5-[5-(hydroxymethyl)-2-methoxyphenoxy]pentanamide
CID 114281672
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145

Frequently Asked Questions

What is the IUPAC name of (3-hexoxy-4-methoxyphenyl)methanol?
The IUPAC name of (3-hexoxy-4-methoxyphenyl)methanol (CID 29006684) is (3-hexoxy-4-methoxyphenyl)methanol.
What is the SMILES notation for (3-hexoxy-4-methoxyphenyl)methanol?
The canonical SMILES for (3-hexoxy-4-methoxyphenyl)methanol is CCCCCCOc1cc(CO)ccc1OC.
What is the InChIKey of (3-hexoxy-4-methoxyphenyl)methanol?
The InChIKey is QRQKVJOXDACQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-4-5-6-9-17-14-10-12(11-15)7-8-13(14)16-2/h7-8,10,15H,3-6,9,11H2,1-2H3.
What are the key properties of (3-hexoxy-4-methoxyphenyl)methanol?
(3-hexoxy-4-methoxyphenyl)methanol has a molecular weight of 238.33 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexoxy-4-methoxyphenyl)methanol is sourced from PubChem (CID 29006684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).