[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol

C14H21ClO5 — CID 114459550

IUPAC[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol
SMILESCCOC(COc1c(Cl)cc(CO)cc1OC)OCC
InChIInChI=1S/C14H21ClO5/c1-4-18-13(19-5-2)9-20-14-11(15)6-10(8-16)7-12(14)17-3/h6-7,13,16H,4-5,8-9H2,1-3H3
InChIKeyVMUOVCMLDSSESP-UHFFFAOYSA-N
MW304.77 g/mol
LogP2.62
Rot. Bonds9

About [3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol

[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol (PubChem CID 114459550) has the molecular formula C14H21ClO5 and a molecular weight of 304.77 g/mol. Its IUPAC name is [3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol
PubChem CID114459550
Molecular FormulaC14H21ClO5
Molecular Weight304.77 g/mol
Exact Mass304.11
IUPAC Name[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol
SMILESCCOC(COc1c(Cl)cc(CO)cc1OC)OCC
InChIInChI=1S/C14H21ClO5/c1-4-18-13(19-5-2)9-20-14-11(15)6-10(8-16)7-12(14)17-3/h6-7,13,16H,4-5,8-9H2,1-3H3
InChIKeyVMUOVCMLDSSESP-UHFFFAOYSA-N
XLogP2.62
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 28898382
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol
CID 114013408
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
CID 60879592
[3-chloro-4-[(3-ethoxy-4-phenylmethoxyphenyl)methoxy]-5-methoxyphenyl]methanol
CID 5245459
[3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 61495174
[3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528334

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol?
The IUPAC name of [3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol (CID 114459550) is [3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol?
The canonical SMILES for [3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol is CCOC(COc1c(Cl)cc(CO)cc1OC)OCC.
What is the InChIKey of [3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol?
The InChIKey is VMUOVCMLDSSESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO5/c1-4-18-13(19-5-2)9-20-14-11(15)6-10(8-16)7-12(14)17-3/h6-7,13,16H,4-5,8-9H2,1-3H3.
What are the key properties of [3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol?
[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol has a molecular weight of 304.77 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol is sourced from PubChem (CID 114459550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).