(3-chloro-4-nonoxyphenyl)methanol

C16H25ClO2 — CID 63533386

IUPAC(3-chloro-4-nonoxyphenyl)methanol
SMILESCCCCCCCCCOc1ccc(CO)cc1Cl
InChIInChI=1S/C16H25ClO2/c1-2-3-4-5-6-7-8-11-19-16-10-9-14(13-18)12-15(16)17/h9-10,12,18H,2-8,11,13H2,1H3
InChIKeyGMHOYNCTOTVQJI-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.96
Rot. Bonds10

About (3-chloro-4-nonoxyphenyl)methanol

(3-chloro-4-nonoxyphenyl)methanol (PubChem CID 63533386) has the molecular formula C16H25ClO2 and a molecular weight of 284.83 g/mol. Its IUPAC name is (3-chloro-4-nonoxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-nonoxyphenyl)methanol
PubChem CID63533386
Molecular FormulaC16H25ClO2
Molecular Weight284.83 g/mol
Exact Mass284.15
IUPAC Name(3-chloro-4-nonoxyphenyl)methanol
SMILESCCCCCCCCCOc1ccc(CO)cc1Cl
InChIInChI=1S/C16H25ClO2/c1-2-3-4-5-6-7-8-11-19-16-10-9-14(13-18)12-15(16)17/h9-10,12,18H,2-8,11,13H2,1H3
InChIKeyGMHOYNCTOTVQJI-UHFFFAOYSA-N
XLogP4.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.96
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

[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
CID 115777024
[3,4-di(nonoxy)phenyl]methanol
CID 143615493
[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
[3-chloro-4-(2-ethoxyethoxy)phenyl]methanol
CID 55031367
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
[3-chloro-4-(3-ethylsulfonylpropoxy)phenyl]methanol
CID 65098173
[3-chloro-4-(4-methylpentoxy)phenyl]methanol
CID 83159020
[3-chloro-4-(2-propoxyphenoxy)phenyl]methanol
CID 81151158
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
N-[(3-chloro-4-heptoxyphenyl)methyl]propan-2-amine
CID 63500122

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-nonoxyphenyl)methanol?
The IUPAC name of (3-chloro-4-nonoxyphenyl)methanol (CID 63533386) is (3-chloro-4-nonoxyphenyl)methanol.
What is the SMILES notation for (3-chloro-4-nonoxyphenyl)methanol?
The canonical SMILES for (3-chloro-4-nonoxyphenyl)methanol is CCCCCCCCCOc1ccc(CO)cc1Cl.
What is the InChIKey of (3-chloro-4-nonoxyphenyl)methanol?
The InChIKey is GMHOYNCTOTVQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClO2/c1-2-3-4-5-6-7-8-11-19-16-10-9-14(13-18)12-15(16)17/h9-10,12,18H,2-8,11,13H2,1H3.
What are the key properties of (3-chloro-4-nonoxyphenyl)methanol?
(3-chloro-4-nonoxyphenyl)methanol has a molecular weight of 284.83 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-nonoxyphenyl)methanol is sourced from PubChem (CID 63533386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).