[4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol

C16H18ClO2P — CID 153338124

IUPAC[4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol
SMILESCCOc1ccc(C(P)c2cc(CO)ccc2Cl)cc1
InChIInChI=1S/C16H18ClO2P/c1-2-19-13-6-4-12(5-7-13)16(20)14-9-11(10-18)3-8-15(14)17/h3-9,16,18H,2,10,20H2,1H3
InChIKeyDVTDTYJIEJYBHM-UHFFFAOYSA-N
MW308.75 g/mol
LogP4.20
Rot. Bonds5

About [4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol

[4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol (PubChem CID 153338124) has the molecular formula C16H18ClO2P and a molecular weight of 308.75 g/mol. Its IUPAC name is [4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol
PubChem CID153338124
Molecular FormulaC16H18ClO2P
Molecular Weight308.75 g/mol
Exact Mass308.07
IUPAC Name[4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol
SMILESCCOc1ccc(C(P)c2cc(CO)ccc2Cl)cc1
InChIInChI=1S/C16H18ClO2P/c1-2-19-13-6-4-12(5-7-13)16(20)14-9-11(10-18)3-8-15(14)17/h3-9,16,18H,2,10,20H2,1H3
InChIKeyDVTDTYJIEJYBHM-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3,4-dichlorophenyl)-(4-ethoxyphenyl)methanol
CID 55133392
1-[bromo-(4-ethoxyphenyl)methyl]-3,5-dichlorobenzene
CID 55199898
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 110929606
2-chloro-N-[1-(4-ethoxyphenyl)ethyl]-5-fluoroaniline
CID 107527481
1-(3,4-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481911
1-(5-bromo-2-chlorophenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 43481853
N-[(3-chloro-4-methylphenyl)methyl]-1-(4-ethoxyphenyl)ethanamine
CID 106816485
1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431022
(2R,3S,4S,5S)-5-[[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-hydroxymethyl]oxolane-2,3,4-triol
CID 166639277
6-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1,3,4,5,6-pentahydroxyhexan-2-one
CID 169451490
4-bromo-1-[bromo-(4-ethoxyphenyl)methyl]-2-chlorobenzene
CID 63437055
[3-(4-ethoxyphenyl)-4-methoxyphenyl]methanol
CID 94272407

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol?
The IUPAC name of [4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol (CID 153338124) is [4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol.
What is the SMILES notation for [4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol?
The canonical SMILES for [4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol is CCOc1ccc(C(P)c2cc(CO)ccc2Cl)cc1.
What is the InChIKey of [4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol?
The InChIKey is DVTDTYJIEJYBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClO2P/c1-2-19-13-6-4-12(5-7-13)16(20)14-9-11(10-18)3-8-15(14)17/h3-9,16,18H,2,10,20H2,1H3.
What are the key properties of [4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol?
[4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol has a molecular weight of 308.75 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-[(4-ethoxyphenyl)-phosphanylmethyl]phenyl]methanol is sourced from PubChem (CID 153338124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).