(3-chloro-2-octoxyphenyl)methanol

C15H23ClO2 — CID 112612718

IUPAC(3-chloro-2-octoxyphenyl)methanol
SMILESCCCCCCCCOc1c(Cl)cccc1CO
InChIInChI=1S/C15H23ClO2/c1-2-3-4-5-6-7-11-18-15-13(12-17)9-8-10-14(15)16/h8-10,17H,2-7,11-12H2,1H3
InChIKeyPUWFFRGVQAHVCB-UHFFFAOYSA-N
MW270.80 g/mol
LogP4.57
Rot. Bonds9

About (3-chloro-2-octoxyphenyl)methanol

(3-chloro-2-octoxyphenyl)methanol (PubChem CID 112612718) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is (3-chloro-2-octoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-octoxyphenyl)methanol
PubChem CID112612718
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name(3-chloro-2-octoxyphenyl)methanol
SMILESCCCCCCCCOc1c(Cl)cccc1CO
InChIInChI=1S/C15H23ClO2/c1-2-3-4-5-6-7-11-18-15-13(12-17)9-8-10-14(15)16/h8-10,17H,2-7,11-12H2,1H3
InChIKeyPUWFFRGVQAHVCB-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-(bromomethyl)-3-chloro-2-octoxybenzene
CID 112613741
(2-decoxy-3-methylphenyl)methanol
CID 115956202
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606
3-chloro-2-heptoxybenzoic acid
CID 112611877
[3-octoxy-2-[2-[2-(2-octoxyphenoxy)ethoxy]ethoxy]phenyl]methanol
CID 102217189
1-chloro-9,10-didodecoxyanthracene
CID 139930048
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
3-[[2-chloro-6-(hydroxymethyl)phenoxy]methyl]pentan-3-ol
CID 114494489
[3-chloro-2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-octoxyphenyl)methanol?
The IUPAC name of (3-chloro-2-octoxyphenyl)methanol (CID 112612718) is (3-chloro-2-octoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-2-octoxyphenyl)methanol?
The canonical SMILES for (3-chloro-2-octoxyphenyl)methanol is CCCCCCCCOc1c(Cl)cccc1CO.
What is the InChIKey of (3-chloro-2-octoxyphenyl)methanol?
The InChIKey is PUWFFRGVQAHVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-2-3-4-5-6-7-11-18-15-13(12-17)9-8-10-14(15)16/h8-10,17H,2-7,11-12H2,1H3.
What are the key properties of (3-chloro-2-octoxyphenyl)methanol?
(3-chloro-2-octoxyphenyl)methanol has a molecular weight of 270.80 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-octoxyphenyl)methanol is sourced from PubChem (CID 112612718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).