(3-tert-butyl-5-methoxyphenyl)methanol

C12H18O2 — CID 135139096

IUPAC(3-tert-butyl-5-methoxyphenyl)methanol
SMILESCOc1cc(CO)cc(C(C)(C)C)c1
InChIInChI=1S/C12H18O2/c1-12(2,3)10-5-9(8-13)6-11(7-10)14-4/h5-7,13H,8H2,1-4H3
InChIKeyPQVVELFANLEPFK-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.48
Rot. Bonds2

About (3-tert-butyl-5-methoxyphenyl)methanol

(3-tert-butyl-5-methoxyphenyl)methanol (PubChem CID 135139096) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3-tert-butyl-5-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-5-methoxyphenyl)methanol
PubChem CID135139096
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3-tert-butyl-5-methoxyphenyl)methanol
SMILESCOc1cc(CO)cc(C(C)(C)C)c1
InChIInChI=1S/C12H18O2/c1-12(2,3)10-5-9(8-13)6-11(7-10)14-4/h5-7,13H,8H2,1-4H3
InChIKeyPQVVELFANLEPFK-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(hydroxymethyl)-5-methoxyphenyl]-2-methylpropanal
CID 118404113
1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543
ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 144848774
2-(3-tert-butyl-5-methoxyphenyl)acetic acid
CID 21199158
2-(3-ethyl-5-methoxyphenyl)-2-methylpropan-1-ol
CID 117297890
2-[3-methoxy-5-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117322386
2-[3-(hydroxymethyl)-5-methoxyphenyl]propan-2-yl N-[6-[2-(3,5-dimethoxyphenyl)propan-2-yloxycarbonylamino]hexyl]carbamate
CID 66801800
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
3-(hydroxymethyl)-5-methoxybenzoic acid
CID 66589238
[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methanol
CID 101100720
2-[3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 129085399
1-tert-butyl-3-methoxy-5-[3-(4-methoxyphenyl)-3-methylbutyl]benzene
CID 135218322

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methoxyphenyl)methanol?
The IUPAC name of (3-tert-butyl-5-methoxyphenyl)methanol (CID 135139096) is (3-tert-butyl-5-methoxyphenyl)methanol.
What is the SMILES notation for (3-tert-butyl-5-methoxyphenyl)methanol?
The canonical SMILES for (3-tert-butyl-5-methoxyphenyl)methanol is COc1cc(CO)cc(C(C)(C)C)c1.
What is the InChIKey of (3-tert-butyl-5-methoxyphenyl)methanol?
The InChIKey is PQVVELFANLEPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(2,3)10-5-9(8-13)6-11(7-10)14-4/h5-7,13H,8H2,1-4H3.
What are the key properties of (3-tert-butyl-5-methoxyphenyl)methanol?
(3-tert-butyl-5-methoxyphenyl)methanol has a molecular weight of 194.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methoxyphenyl)methanol is sourced from PubChem (CID 135139096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).