(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol

C14H12FIO2 — CID 137378511

IUPAC(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
SMILESOCc1ccc(OCc2ccccc2)c(F)c1I
InChIInChI=1S/C14H12FIO2/c15-13-12(7-6-11(8-17)14(13)16)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2
InChIKeyWJBMEUAAWRCPEO-UHFFFAOYSA-N
MW358.15 g/mol
LogP3.50
Rot. Bonds4

About (3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol

(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol (PubChem CID 137378511) has the molecular formula C14H12FIO2 and a molecular weight of 358.15 g/mol. Its IUPAC name is (3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Name(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
PubChem CID137378511
Molecular FormulaC14H12FIO2
Molecular Weight358.15 g/mol
Exact Mass357.99
IUPAC Name(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
SMILESOCc1ccc(OCc2ccccc2)c(F)c1I
InChIInChI=1S/C14H12FIO2/c15-13-12(7-6-11(8-17)14(13)16)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2
InChIKeyWJBMEUAAWRCPEO-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
2-(3-fluoro-2-methyl-4-phenylmethoxyphenyl)acetic acid
CID 166161146
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
4-iodo-5-phenylmethoxybenzene-1,3-diol
CID 71339742
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
(3-chloro-4-fluoro-5-phenylmethoxyphenyl)methanol
CID 164895501
(1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate
CID 175264172
1-(4-bromophenyl)-2,3-difluoro-4-phenylmethoxybenzene
CID 54164319
2-fluoro-6-methyl-3-phenylmethoxybenzoic acid
CID 67053712
ethane;(2-methyl-3-phenylmethoxyphenyl)methanol
CID 143384106

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol?
The IUPAC name of (3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol (CID 137378511) is (3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol.
What is the SMILES notation for (3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol?
The canonical SMILES for (3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol is OCc1ccc(OCc2ccccc2)c(F)c1I.
What is the InChIKey of (3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol?
The InChIKey is WJBMEUAAWRCPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIO2/c15-13-12(7-6-11(8-17)14(13)16)18-9-10-4-2-1-3-5-10/h1-7,17H,8-9H2.
What are the key properties of (3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol?
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol has a molecular weight of 358.15 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 137378511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).